1-[1-(aminomethyl)-4-methylcyclohexanecarbonyl]piperidine-3-carboxylic acid

C15H26N2O3 — CID 115441831

IUPAC1-[1-(aminomethyl)-4-methylcyclohexanecarbonyl]piperidine-3-carboxylic acid
SMILESCC1CCC(CN)(C(=O)N2CCCC(C(=O)O)C2)CC1
InChIInChI=1S/C15H26N2O3/c1-11-4-6-15(10-16,7-5-11)14(20)17-8-2-3-12(9-17)13(18)19/h11-12H,2-10,16H2,1H3,(H,18,19)
InChIKeyQJDHYBSCRFKYEY-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.46
Rot. Bonds3

About 1-[1-(aminomethyl)-4-methylcyclohexanecarbonyl]piperidine-3-carboxylic acid

1-[1-(aminomethyl)-4-methylcyclohexanecarbonyl]piperidine-3-carboxylic acid (PubChem CID 115441831) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-[1-(aminomethyl)-4-methylcyclohexanecarbonyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(aminomethyl)-4-methylcyclohexanecarbonyl]piperidine-3-carboxylic acid
PubChem CID115441831
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-[1-(aminomethyl)-4-methylcyclohexanecarbonyl]piperidine-3-carboxylic acid
SMILESCC1CCC(CN)(C(=O)N2CCCC(C(=O)O)C2)CC1
InChIInChI=1S/C15H26N2O3/c1-11-4-6-15(10-16,7-5-11)14(20)17-8-2-3-12(9-17)13(18)19/h11-12H,2-10,16H2,1H3,(H,18,19)
InChIKeyQJDHYBSCRFKYEY-UHFFFAOYSA-N
XLogP1.46
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[1-(aminomethyl)cycloheptanecarbonyl]piperidine-3-carboxylic acid
CID 115444265
(3S)-1-[4-(aminomethyl)oxane-4-carbonyl]piperidine-3-carboxylic acid
CID 115439749
1-[1-(aminomethyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid
CID 115448527
[1-(aminomethyl)-4-methylcyclohexyl]-(3-methoxypiperidin-1-yl)methanone
CID 102957592
[1-(aminomethyl)-4-methylcyclohexyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 115441663
[1-(aminomethyl)-4-methylcyclohexyl]-(4-methylpiperidin-1-yl)methanone
CID 113310414
(3R)-1-(1-ethylcyclobutanecarbonyl)piperidine-3-carboxylic acid
CID 124576606
[1-(aminomethyl)-4-methylcyclohexyl]-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106669058
[1-(aminomethyl)cyclohexyl]-(3,4-dimethylpiperazin-1-yl)methanone
CID 63609214
[1-(aminomethyl)cyclopropyl]-piperidin-1-ylmethanone
CID 80587175
(3R)-1-(1-methylcyclopentanecarbonyl)piperidine-3-carboxylic acid
CID 81119321
1-[1-(2-methoxyethyl)cyclopentanecarbonyl]piperidine-3-carboxylic acid
CID 102553827

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)-4-methylcyclohexanecarbonyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[1-(aminomethyl)-4-methylcyclohexanecarbonyl]piperidine-3-carboxylic acid (CID 115441831) is 1-[1-(aminomethyl)-4-methylcyclohexanecarbonyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(aminomethyl)-4-methylcyclohexanecarbonyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[1-(aminomethyl)-4-methylcyclohexanecarbonyl]piperidine-3-carboxylic acid is CC1CCC(CN)(C(=O)N2CCCC(C(=O)O)C2)CC1.
What is the InChIKey of 1-[1-(aminomethyl)-4-methylcyclohexanecarbonyl]piperidine-3-carboxylic acid?
The InChIKey is QJDHYBSCRFKYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-11-4-6-15(10-16,7-5-11)14(20)17-8-2-3-12(9-17)13(18)19/h11-12H,2-10,16H2,1H3,(H,18,19).
What are the key properties of 1-[1-(aminomethyl)-4-methylcyclohexanecarbonyl]piperidine-3-carboxylic acid?
1-[1-(aminomethyl)-4-methylcyclohexanecarbonyl]piperidine-3-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)-4-methylcyclohexanecarbonyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 115441831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).